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. Author manuscript; available in PMC: 2020 Jul 10.
Published in final edited form as: J Phys Chem Lett. 2020 May 21;11(11):4392–4401. doi: 10.1021/acs.jpclett.0c00974

Figure 4.

Figure 4.

Comparison between persistent homology prediction results and DFT calculation results of the binding energy of Lin (n = 3, 4, …, 10) with the number of subintervals in 1 Å being (a) 5 with GBR, (b) 10 with GBR, (c) 20 with GBR, (d) 5 with NN, (e) 10 with NN, and (f) 20 with NN.